6-[6-[14-(4-naphthalen-2-ylquinazolin-2-yl)-18-[4-[2-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)-4-(4-phenylphenyl)quinazolin-7-yl]phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-9-yl]naphthalen-1-yl]-9-phenyl-14-[6-phenyl-4-(4-phenylphenyl)quinazolin-2-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene

C146H88N12 — CID 167209938

About 6-[6-[14-(4-naphthalen-2-ylquinazolin-2-yl)-18-[4-[2-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)-4-(4-phenylphenyl)quinazolin-7-yl]phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-9-yl]naphthalen-1-yl]-9-phenyl-14-[6-phenyl-4-(4-phenylphenyl)quinazolin-2-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene

6-[6-[14-(4-naphthalen-2-ylquinazolin-2-yl)-18-[4-[2-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)-4-(4-phenylphenyl)quinazolin-7-yl]phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-9-yl]naphthalen-1-yl]-9-phenyl-14-[6-phenyl-4-(4-phenylphenyl)quinazolin-2-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene (PubChem CID 167209938) has the molecular formula C146H88N12 and a molecular weight of 2010.39 g/mol. Its IUPAC name is 6-[6-[14-(4-naphthalen-2-ylquinazolin-2-yl)-18-[4-[2-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)-4-(4-phenylphenyl)quinazolin-7-yl]phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-9-yl]naphthalen-1-yl]-9-phenyl-14-[6-phenyl-4-(4-phenylphenyl)quinazolin-2-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene.

Molecular Properties

• Compound Name: 6-[6-[14-(4-naphthalen-2-ylquinazolin-2-yl)-18-[4-[2-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)-4-(4-phenylphenyl)quinazolin-7-yl]phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-9-yl]naphthalen-1-yl]-9-phenyl-14-[6-phenyl-4-(4-phenylphenyl)quinazolin-2-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
• PubChem CID: 167209938
• Molecular Formula: C146H88N12
• Molecular Weight: 2010.39 g/mol
• Exact Mass: 2008.73
• IUPAC Name: 6-[6-[14-(4-naphthalen-2-ylquinazolin-2-yl)-18-[4-[2-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)-4-(4-phenylphenyl)quinazolin-7-yl]phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-9-yl]naphthalen-1-yl]-9-phenyl-14-[6-phenyl-4-(4-phenylphenyl)quinazolin-2-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
• SMILES: c1ccc(-c2ccc(-c3nc(-n4c5ccccc5c5c6c7ccccc7n(-c7ccccc7)c6ccc54)nc4cc(-c5ccc(-c6ccc7c(c6)c6c8c9ccccc9n(-c9ccc%10c(-c%11ccc%12c%13c%14c%15ccccc%15n(-c%15nc(-c%16ccc(-c%17ccccc%17)cc%16)c%16cc(-c%17ccccc%17)ccc%16n%15)c%14ccc%13n(-c%13ccccc%13)c%12c%11)cccc%10c9)c8ccc6n7-c6nc(-c7ccc8ccccc8c7)c7ccccc7n6)cc5)ccc34)cc2)cc1
• InChI: InChI=1S/C146H88N12/c1-6-29-89(30-7-1)93-57-62-97(63-58-93)141-112-72-67-102(87-122(112)149-146(150-141)157-126-52-27-21-45-115(126)137-131(157)80-77-128-135(137)113-43-19-24-49-123(113)153(128)106-38-12-4-13-39-106)96-55-53-95(54-56-96)101-70-76-127-119(86-101)140-133(158(127)144-147-120-48-23-18-42-111(120)143(152-144)105-66-61-92-35-16-17-36-99(92)83-105)82-79-130-136(140)114-44-20-25-50-124(114)155(130)108-71-74-110-103(84-108)37-28-47-109(110)104-68-73-117-134(88-104)154(107-40-14-5-15-41-107)129-78-81-132-138(139(117)129)116-46-22-26-51-125(116)156(132)145-148-121-75-69-100(91-33-10-3-11-34-91)85-118(121)142(151-145)98-64-59-94(60-65-98)90-31-8-2-9-32-90/h1-88H
• InChIKey: XDWAHIYZPIIULJ-UHFFFAOYSA-N
• XLogP: 37.41
• TPSA: 106.92 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 15
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2010.39
LogP ≤ 5	37.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 6-[6-[14-(4-naphthalen-2-ylquinazolin-2-yl)-18-[4-[2-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)-4-(4-phenylphenyl)quinazolin-7-yl]phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-9-yl]naphthalen-1-yl]-9-phenyl-14-[6-phenyl-4-(4-phenylphenyl)quinazolin-2-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene?

The IUPAC name of 6-[6-[14-(4-naphthalen-2-ylquinazolin-2-yl)-18-[4-[2-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)-4-(4-phenylphenyl)quinazolin-7-yl]phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-9-yl]naphthalen-1-yl]-9-phenyl-14-[6-phenyl-4-(4-phenylphenyl)quinazolin-2-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene (CID 167209938) is 6-[6-[14-(4-naphthalen-2-ylquinazolin-2-yl)-18-[4-[2-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)-4-(4-phenylphenyl)quinazolin-7-yl]phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-9-yl]naphthalen-1-yl]-9-phenyl-14-[6-phenyl-4-(4-phenylphenyl)quinazolin-2-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene.

What is the SMILES notation for 6-[6-[14-(4-naphthalen-2-ylquinazolin-2-yl)-18-[4-[2-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)-4-(4-phenylphenyl)quinazolin-7-yl]phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-9-yl]naphthalen-1-yl]-9-phenyl-14-[6-phenyl-4-(4-phenylphenyl)quinazolin-2-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene?

The canonical SMILES for 6-[6-[14-(4-naphthalen-2-ylquinazolin-2-yl)-18-[4-[2-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)-4-(4-phenylphenyl)quinazolin-7-yl]phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-9-yl]naphthalen-1-yl]-9-phenyl-14-[6-phenyl-4-(4-phenylphenyl)quinazolin-2-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene is c1ccc(-c2ccc(-c3nc(-n4c5ccccc5c5c6c7ccccc7n(-c7ccccc7)c6ccc54)nc4cc(-c5ccc(-c6ccc7c(c6)c6c8c9ccccc9n(-c9ccc%10c(-c%11ccc%12c%13c%14c%15ccccc%15n(-c%15nc(-c%16ccc(-c%17ccccc%17)cc%16)c%16cc(-c%17ccccc%17)ccc%16n%15)c%14ccc%13n(-c%13ccccc%13)c%12c%11)cccc%10c9)c8ccc6n7-c6nc(-c7ccc8ccccc8c7)c7ccccc7n6)cc5)ccc34)cc2)cc1.

What is the InChIKey of 6-[6-[14-(4-naphthalen-2-ylquinazolin-2-yl)-18-[4-[2-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)-4-(4-phenylphenyl)quinazolin-7-yl]phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-9-yl]naphthalen-1-yl]-9-phenyl-14-[6-phenyl-4-(4-phenylphenyl)quinazolin-2-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene?

The InChIKey is XDWAHIYZPIIULJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C146H88N12/c1-6-29-89(30-7-1)93-57-62-97(63-58-93)141-112-72-67-102(87-122(112)149-146(150-141)157-126-52-27-21-45-115(126)137-131(157)80-77-128-135(137)113-43-19-24-49-123(113)153(128)106-38-12-4-13-39-106)96-55-53-95(54-56-96)101-70-76-127-119(86-101)140-133(158(127)144-147-120-48-23-18-42-111(120)143(152-144)105-66-61-92-35-16-17-36-99(92)83-105)82-79-130-136(140)114-44-20-25-50-124(114)155(130)108-71-74-110-103(84-108)37-28-47-109(110)104-68-73-117-134(88-104)154(107-40-14-5-15-41-107)129-78-81-132-138(139(117)129)116-46-22-26-51-125(116)156(132)145-148-121-75-69-100(91-33-10-3-11-34-91)85-118(121)142(151-145)98-64-59-94(60-65-98)90-31-8-2-9-32-90/h1-88H.

What are the key properties of 6-[6-[14-(4-naphthalen-2-ylquinazolin-2-yl)-18-[4-[2-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)-4-(4-phenylphenyl)quinazolin-7-yl]phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-9-yl]naphthalen-1-yl]-9-phenyl-14-[6-phenyl-4-(4-phenylphenyl)quinazolin-2-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene?

6-[6-[14-(4-naphthalen-2-ylquinazolin-2-yl)-18-[4-[2-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)-4-(4-phenylphenyl)quinazolin-7-yl]phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-9-yl]naphthalen-1-yl]-9-phenyl-14-[6-phenyl-4-(4-phenylphenyl)quinazolin-2-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene has a molecular weight of 2010.39 g/mol, XLogP of 37.41, 15 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[6-[14-(4-naphthalen-2-ylquinazolin-2-yl)-18-[4-[2-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)-4-(4-phenylphenyl)quinazolin-7-yl]phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-9-yl]naphthalen-1-yl]-9-phenyl-14-[6-phenyl-4-(4-phenylphenyl)quinazolin-2-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene is sourced from PubChem (CID 167209938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).